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Remove unused thole polarization rfac parameter
[alexxy/gromacs.git]
/
src
/
gromacs
/
topology
/
tests
/
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-07
Mark Abraham
Add hasPerturbedChargeIn14Interaction to atomInfo bits
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commitdiff
2021-06-07
Mark Abraham
Add unit tests for topology sorting
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commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-20
Joe Jordan
clang-tidy-11 fixes for topology, gpu_utils, and selection
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-02-15
Paul Bauer
Fix clang-tidy-11 for topology module
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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commitdiff
2020-07-07
Christian Blau
Move finalising routine into mtop
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commitdiff
2020-06-05
Paul Bauer
Use moltype directly for obtaining residueAtomRanges
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commitdiff
2020-06-02
Paul Bauer
Add function to get residue start and end
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commitdiff
2020-05-29
Paul Bauer
Add test for InteractionList
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commitdiff
2020-05-24
Paul Bauer
Add conversion from new to legacy symtab
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commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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commitdiff
2020-03-06
Mark Abraham
Simplify compiling GPU code for tests
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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commitdiff
2020-02-01
Artem Zhmurov
Merge "Merge branch origin/release-2020 into master"
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commitdiff
2020-01-29
Paul Bauer
Add replacement for symbol table
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commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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commitdiff
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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commitdiff
2019-12-19
Berk Hess
Expand ListOfLists pushBack() functionality
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commitdiff
2019-12-16
Berk Hess
Use ListOfLists in gmx_mtop_t and gmx_localtop_t
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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commitdiff
2019-11-07
Paul Bauer
Apply clang-format to source tree
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
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commitdiff
2019-08-23
Mark Abraham
Update clang-tidy to clang version 8
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commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
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commitdiff
2019-03-22
Paul Bauer
Add simple tests for symbol table
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commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
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commitdiff
2019-02-25
Paul Bauer
Refactor ExclusionBlocks
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commitdiff
2019-02-22
Paul Bauer
Add tests for ExclusionBlocks
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commitdiff
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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commitdiff
2019-01-26
Roland Schulz
Fix clang warning
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commitdiff
2019-01-23
Roland Schulz
Merge release-2019 into master
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commitdiff
2019-01-23
Roland Schulz
Turn SystemAtomIterator into proper iterator
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